Sugi Predict

Sugi Predict / Compounds / SCHEMBL8513285

SCHEMBL8513285

SCHEMBL8513285

CCCC1(CCC)c2cc(-c3ccc(OC)cc3OC)ccc2-c2c1cc(O)c1ccc(OC)cc21

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP1A1 P04798 3/20 0.40
▸ CYP1B1 Q16678 3/20 0.40
▸ CYP3A4 P08684 3/20 0.40
▸ CYP1A2 P05177 2/20 0.40
▸ CYP2E1 P05181 2/20 0.40
▸ CYP2C8 P10632 2/20 0.40
▸ CYP2D6 P10635 2/20 0.40
▸ CYP2A6 P11509 2/20 0.40
▸ CYP2C9 P11712 2/20 0.40
▸ CYP4B1 P13584 2/20 0.40
▸ CYP2B6 P20813 2/20 0.40
▸ CYP3A5 P20815 2/20 0.40
▸ CYP2A7 P20853 2/20 0.40
▸ CYP3A7 P24462 2/20 0.40
▸ CYP2F1 P24903 2/20 0.40
▸ CYP2C18 P33260 2/20 0.40
▸ CYP2C19 P33261 2/20 0.40
▸ CYP2J2 P51589 2/20 0.40
▸ CYP4F2 P78329 2/20 0.40
▸ CYP4F8 P98187 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
SCHEMBL27165417 0.94 CYP1A1 (0.38) CYP1A1CYP1B1CYP3A4CYP1A2CYP2E1
SCHEMBL30859288 0.94 CYP1A1 (0.38) CYP1A1CYP1B1CYP3A4CYP1A2CYP2E1
SCHEMBL27165419 0.92 CYP1A1 (0.36) CYP1A1CYP1B1CYP3A4CYP1A2CYP2E1
SCHEMBL30859287 0.92 CYP1A1 (0.36) CYP1A1CYP1B1CYP3A4CYP1A2CYP2E1
SCHEMBL8511294 0.88 MEN1 (0.38) MAPTMEN1NPC1RAB9AKMT2A
SCHEMBL30859291 0.83 MAPT (0.37) KDM4EMAPTMEN1NPC1RAB9A
SCHEMBL27165411 0.83 MAPT (0.37) KDM4EMAPTMEN1NPC1RAB9A
SCHEMBL27165421 0.83 MAPT (0.34) MAPTMEN1NPC1RAB9AKMT2A
SCHEMBL21582137 0.82 PPM1A (0.39) MAPTMEN1NPC1KMT2AALDH1A1
SCHEMBL30104208 0.82 PPM1A (0.39) MAPTMEN1NPC1KMT2AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9028728-B2 Photochromic materials that include indeno-fused naphthopyrans TRANSITIONS OPTICAL, INC. (US) 2015-05-12 — — US disclosed
US-8647538-B2 Photochromic compounds having at least two photochromic moieties TRANSITIONS OPTICAL, INC. (US) 2014-02-11 — — US disclosed
WO-2013086248-A1 PHOTOCHROMIC MATERIALS THAT INCLUDE INDENO-FUSED NAPHTHOPYRANS PPG INDUSTRIES, INC. (US) 2013-06-13 — — WO disclosed
US-20120145973-A1 Photochromic Materials That Include Indeno-Fused Naphthopyrans TRANSITIONS OPTICAL INC. (US) 2012-06-14 — — US disclosed
US-20120136148-A1 Photochromic Compounds Having At Least Two Photochromic Moieties TRANSITIONS OPTICAL, INC. (US) 2012-05-31 — — US 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 (2 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-20120145973-A1 Photochromic Materials That Include Indeno-Fused Naphthopyrans NQO1, INTS6, IPO4 CYP1A1 38/4885CYP1B1 60/4885CYP3A4 249/4885
US-20120136148-A1 Photochromic Compounds Having At Least Two Photochromic Moieties CRY2, PCNA, MTCL3 CYP1A1 3608/4885CYP1B1 3173/4885CYP3A4 3745/4885

“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.