SCHEMBL7895128

SCHEMBL7895128

O=c1ccc2c(Br)c3ccoc3c(O)c2o1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP3A4 P08684 7/20 0.49
▸ ALDH1A1 P00352 6/20 0.49
▸ MAPT P10636 5/20 0.49
▸ HPGD P15428 4/20 0.49
▸ CYP2A6 P11509 1/20 0.49
▸ L3MBTL1 Q9Y468 1/20 0.49
▸ KDM4E B2RXH2 6/20 0.46
▸ CYP1A2 P05177 3/20 0.46
▸ POLB P06746 2/20 0.46
▸ CYP1A1 P04798 2/20 0.46
▸ CYP1B1 Q16678 2/20 0.46
▸ ALOX15 P16050 3/20 0.45
▸ MAOA P21397 2/20 0.44
▸ MAOB P27338 2/20 0.44
▸ NFKB1 P19838 1/20 0.44
▸ KCNA2 P16389 1/20 0.43
▸ MET P08581 1/20 0.41
▸ LMNA P02545 3/20 0.40
▸ SMN1; SMN2 Q16637 2/20 0.40
▸ HSD17B10 Q99714 2/20 0.40

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.

Compoundsimilaritytop predictedshared targets
SCHEMBL10319923 0.88 CYP3A4 (0.57) CYP3A4ALDH1A1MAPTHPGDCYP2A6
SCHEMBL6361059 0.80 CYP3A4 (0.75) CYP3A4ALDH1A1MAPTHPGDCYP2A6
SCHEMBL4187228 0.76 CYP3A4 (0.80) CYP3A4ALDH1A1MAPTHPGDCYP2A6
SCHEMBL6272567 0.74 MAOA (0.54) CYP3A4ALDH1A1MAPTHPGDKDM4E
SCHEMBL20278630 0.73 KCNA2 (0.56) CYP3A4ALDH1A1MAPTHPGDKDM4E
SCHEMBL7893642 0.71 KCNA2 (0.58) CYP3A4ALDH1A1MAPTHPGDKDM4E
SCHEMBL31542614 0.70 CYP3A4 (0.80) CYP3A4ALDH1A1MAPTHPGDCYP2A6
SCHEMBL434686 0.70 CYP3A4 (0.80) CYP3A4ALDH1A1MAPTHPGDCYP2A6
Xanthotoxol SCHEMBL499269 0.69 CYP3A4 (0.59) CYP3A4ALDH1A1MAPTHPGDCYP2A6
SCHEMBL30226185 0.69 CYP3A4 (0.65) CYP3A4ALDH1A1MAPTHPGDCYP2A6

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180169433-A1 METHODS AND SYSTEMS FOR TREATING CELL PROLIFERATION DISORDERS WITH PSORALEN DERIVATIVES IMMUNOLIGHT, LLC (US) 2018-06-21 — — US disclosed
US-6187572-B1 DECONTAMINATING BLOOD AND CELL CULTURES BY MIXING WITH A CHEMICAL RADIATION SENSITIZER WHICH DOES NOT BIND TO THE MEMBRANE, FREEZING OR FREEZE-DRYING THE MIXTURE, THEN EXPOSING TO ELECTROMAGNETIC RADIATION BAXTER INTERNATIONAL INC. 2001-02-13 — — US disclosed
US-5919935-A Psoralen sensitizers for viral inactivation THE OHIO STATE RESEARCH FOUNDATION (US) 1999-07-06 — — US disclosed
WO-1998022468-A1 PSORALEN SENSITIZERS FOR VIRAL INACTIVATION OHIO STATE RESEARCH FOUNDATION (US) 1998-05-28 — — WO disclosed
US-5587490-A BINDING TO A PSORALEN COMPOUND CREDIT MANAGERS ASSOCIATION OF CALIFORNIA (US) 1996-12-24 — — US disclosed
US-5418130-A Phosphonium or ammonium halo-psoralen CRYOPHARM CORPORATION (US) 1995-05-23 — — US disclosed
WO-1995002324-A1 METHOD OF INACTIVATION OF VIRAL AND BACTERIAL BLOOD CONTAMINANTS CRYOPHARM CORPORATION (US) 1995-01-26 — — 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 (1 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.

PatentTitleText reads most aboutPredicted target · text-rank
US-20180169433-A1 METHODS AND SYSTEMS FOR TREATING CELL PROLIFERATION DISORDERS WITH PSORALEN DERIVATIVES NFATC1, CDK10, PDCD10 CYP3A4 2619/4885ALDH1A1 1556/4885MAPT 2234/4885

“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.

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