Known targets — ChEMBL curated mechanism
ABL1ADRA1AADRA1BADRA1DADRA2AADRA2BADRA2CADRB2AGTR1BCL2BCL2A1BCL2L1BCL2L10BCL2L2BCRBRAFCHRM1CHRNA10CHRNA9DRD1DRD2DRD3DRD4DRD5EGFRF2FLT1FLT4GCKGHSRGNRHRGRIN1GRIN2AGRIN2BGRIN2CGRIN2DGRIN3AGRIN3BHTR1AHTR1BHTR1DHTR2AHTR2CHTR3AIDH2KDRKITMAOBMCL1MTTPPP4HBPDGFRBPIK3CAPIK3CBPIK3CDPIK3CGPIK3R1PIK3R2PIK3R3PIK3R5PIKFYVEROCK1ROCK2SLC18A2SLC6A2SLC6A3SLC6A4TACR1TUBA1ATUBA1BTUBA1CTUBA3CTUBA3ETUBA4ATUBBTUBB1TUBB2ATUBB2BTUBB3TUBB4ATUBB4BTUBB6TUBB8gyrAgyrBparCparEpol
The experimentally established mechanism targets of (Chloromethyl)Benzene. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | F2 known ✓ | P00734 | 1/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.47 |
| ▸ | LMNA | P02545 | 1/20 | 0.47 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.47 |
| ▸ | GAA | P10253 | 1/20 | 0.47 |
| ▸ | MAPT | P10636 | 1/20 | 0.47 |
| ▸ | BLM | P54132 | 1/20 | 0.47 |
| ▸ | GFER | P55789 | 1/20 | 0.47 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.47 |
| ▸ | CA2 | P00918 | 5/20 | 0.47 |
| ▸ | CA1 | P00915 | 4/20 | 0.47 |
| ▸ | MMP1 | P03956 | 1/20 | 0.47 |
| ▸ | MMP2 | P08253 | 1/20 | 0.47 |
| ▸ | MMP9 | P14780 | 1/20 | 0.47 |
| ▸ | MMP8 | P22894 | 1/20 | 0.47 |
| ▸ | MMP13 | P45452 | 1/20 | 0.47 |
| ▸ | POLB | P06746 | 2/20 | 0.46 |
| ▸ | CA12 | O43570 | 2/20 | 0.45 |
| ▸ | CA7 | P43166 | 2/20 | 0.45 |
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| (Chloromethyl)Benzene SCHEMBL28421276 | 0.88 | ALDH1A1 (0.44) | KDM4EALDH1A1LMNACYP3A4GAA | |
| (Chloromethyl)Benzene SCHEMBL4359379 | 0.83 | CA2 (0.46) | ALDH1A1CA2CA1MMP1MMP2 | |
| (Chloromethyl)Benzene SCHEMBL11024451 | 0.83 | TSHR (0.48) | KDM4EALDH1A1CA2CA1TSHR | |
| (Chloromethyl)Benzene SCHEMBL27410445 | 0.81 | ALDH1A1 (0.52) | ALDH1A1LMNACA2CA1MEN1 | |
| (Chloromethyl)Benzene SCHEMBL27562557 | 0.81 | ALDH1A1 (0.52) | ALDH1A1LMNACA2CA1MEN1 | |
| Diphenylmethane SCHEMBL9244248 | 0.81 | CALM1 (0.60) | KDM4EALDH1A1LMNACYP3A4GAA | |
| (Chloromethyl)Benzene SCHEMBL998444 | 0.80 | CES2 (0.52) | ALDH1A1CA2CA1MEN1KMT2A | |
| (Chloromethyl)Benzene SCHEMBL8508631 | 0.80 | KDM4E (0.50) | KDM4EALDH1A1LMNACYP3A4MAPT | |
| (Chloromethyl)Benzene SCHEMBL4637240 | 0.80 | TP53 (0.50) | KDM4EALDH1A1LMNACYP3A4MAPT | |
| (Chloromethyl)Benzene SCHEMBL7413 | 0.80 | — | — |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 9 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-9974782-B2 | Phosphodiesterase inhibitors and uses thereof | THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) | 2018-05-22 | — | — | US | disclosed |
| US-20170216275-A1 | PHOSPHODIESTERASE INHIBITORS AND USES THEREOF | NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT | 2017-08-03 | — | — | US | disclosed |
| US-9422242-B2 | Phosphodiesterase inhibitors and uses thereof | THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) | 2016-08-23 | — | — | US | disclosed |
| US-20150080394-A1 | PHOSPHODIESTERASE INHIBITORS AND USES THEREOF | COLUMBIA UNIVERSITY (US) | 2015-03-19 | — | — | US | disclosed |
| EP-2379076-B1 | PHOSPHODIESTERASE INHIBITORS AND USES THEREOF | UNIV COLUMBIA (US) | 2014-11-12 | — | — | EP | disclosed |
| US-8697875-B2 | Phosphodiesterase inhibitors and uses thereof | THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) | 2014-04-15 | — | — | US | disclosed |
| US-20120076732-A1 | PHOSPHODIESTERASE INHIBITORS AND USES THEREOF | NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT | 2012-03-29 | — | — | US | disclosed |
| EP-2379076-A1 | PHOSPHODIESTERASE INHIBITORS AND USES THEREOF | The Trustees of Columbia University in the City of New York (US) | 2011-10-26 | — | — | EP | disclosed |
| WO-2010074783-A1 | PHOSPHODIESTERASE INHIBITORS AND USES THEREOF | THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) | 2010-07-01 | — | — | WO | disclosed |
Patent text — is the patent's own abstract consistent with the prediction?
For each of this compound's patents that has machine-readable text (3 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.
| Patent | Title | Text reads most about | Predicted target · text-rank |
|---|---|---|---|
| US-20120076732-A1 | PHOSPHODIESTERASE INHIBITORS AND USES THEREOF | PDE7A, PDE5A, PDE4A | F2 3822/4885KDM4E 1362/4885ALDH1A1 2317/4885 |
| US-20150080394-A1 | PHOSPHODIESTERASE INHIBITORS AND USES THEREOF | PDE7A, PDE5A, PDE4A | F2 3822/4885KDM4E 1362/4885ALDH1A1 2317/4885 |
| US-20170216275-A1 | PHOSPHODIESTERASE INHIBITORS AND USES THEREOF | PDE7A, PDE5A, PDE4A | F2 3822/4885KDM4E 1362/4885ALDH1A1 2317/4885 |
“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.